ACCESSION: MSBNK-Keio_Univ-KO004151
RECORD_TITLE: Tyrosine methyl ester; LC-ESI-QQ; MS2; CE:50 V; [M+H]+
DATE: 2016.01.19 (Created 2007.07.07, modified 2011.05.10)
AUTHORS: Kakazu Y, Horai H, Institute for Advanced Biosciences, Keio Univ.
LICENSE: CC BY-NC-SA
COMMENT: KEIO_ID T032

CH$NAME: Tyrosine methyl ester
CH$NAME: L-Tyrosine methyl ester
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C₁₀H₁₃NO₃
CH$EXACT_MASS: 195.08954
CH$SMILES: COC(=O)C(N)Cc(c1)ccc(O)c1
CH$IUPAC: InChI=1S/C10H13NO3/c1-14-10(13)9(11)6-7-2-4-8(12)5-3-7/h2-5,9,12H,6,11H2,1H3/t9-/m0/s1
CH$LINK: CAS 1080-06-4
CH$LINK: CHEBI 17215
CH$LINK: KEGG C03404
CH$LINK: NIKKAJI J5.190J
CH$LINK: PUBCHEM SID:6233
CH$LINK: INCHIKEY MWZPENIJLUWBSY-VIFPVBQESA-N
CH$LINK: COMPTOX DTXSID40148354

AC$INSTRUMENT: API3000, Applied Biosystems
AC$INSTRUMENT_TYPE: LC-ESI-QQ
AC$MASS_SPECTROMETRY: MS_TYPE MS2
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: COLLISION_ENERGY 50 V

MS$FOCUSED_ION: PRECURSOR_M/Z 196
MS$FOCUSED_ION: PRECURSOR_TYPE [M+H]+

PK$SPLASH: splash10-0006-9200000000-7286fe162b9db3b80a80
PK$NUM_PEAK: 13
PK$PEAK: m/z int. rel.int.
  55.100 34653.5 12
  59.000 24752.5 8
  65.100 242574.5 83
  76.900 153465.5 52
  79.100 79208.0 27
  80.800 39604.0 14
  91.200 2930696.0 999
  93.100 59406.0 20
  94.000 74257.5 25
  107.100 490099.5 167
  117.100 44554.5 15
  118.800 59406.0 20
  121.000 257426.0 88
//